SCHEMBL17176364

SCHEMBL17176364

CC(=O)c1cn(S(=O)(=O)C(C)C)c2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 12/20 0.58
▸ KCNH2 Q12809 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PER2 O15055 4/20 0.40
▸ CRY1 Q16526 4/20 0.40
▸ CRY2 Q49AN0 4/20 0.40
▸ POLB P06746 1/20 0.38
▸ HTR6 P50406 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15557431 0.89 HTR3A (0.58) HTR3APER2CRY1CRY2HTR6
SCHEMBL17170615 0.88 HTR3A (0.57) HTR3APER2CRY1CRY2HTR6
SCHEMBL19970012 0.86 HTR3A (0.55) HTR3AKCNH2PER2CRY1CRY2
SCHEMBL17176277 0.85 HTR3A (0.57) HTR3AKCNH2LMNASMN1; SMN2PER2
SCHEMBL19969990 0.81 HTR3A (0.53) HTR3AKCNH2LMNAHTR6
SCHEMBL17176289 0.80 SMN1; SMN2 (0.65) HTR3ALMNASMN1; SMN2POLBHTR6
SCHEMBL17170593 0.76 HTR3A (0.56) HTR3APER2CRY1CRY2HTR6
SCHEMBL7275971 0.75 KDM4E (0.55) KCNH2POLB
SCHEMBL17163414 0.74 HTR3A (1.00) HTR3A
SCHEMBL17163413 0.74 HTR3A (1.00) HTR3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 — — US disclosed
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 — — US disclosed
US-9303045-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-05 — — US disclosed
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B HTR3A 1/4885KCNH2 1156/4885LMNA 3559/4885
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B HTR3A 1/4885KCNH2 1156/4885LMNA 3559/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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